3-[5-methoxy-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)indol-1-yl]propanoic acid Openeye Name: 3-[3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)-5-methoxy-indol-1-yl]propionic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCSCC3)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCSCC3)CCC(=O)O

InChI

InChI=1S/C18H22N2O5S/c1-25-12-2-3-15-13(10-12)14(11-20(15)5-4-16(21)22)17(18(23)24)19-6-8-26-9-7-19/h2-3,10-11,17H,4-9H2,1H3,(H,21,22)(H,23,24)